Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:37105 - 2-aminopteridin-4(1
H
)-one
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-aminopteridin-4(1
H
)-one
ChEBI ID
CHEBI:37105
ChEBI ASCII Name
2-aminopteridin-4(1H)-one
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H5N5O
Net Charge
0
Average Mass
163.13700
Monoisotopic Mass
163.04941
InChI
InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChIKey
HNXQXTQTPAJEJL-UHFFFAOYSA-N
SMILES
Nc1nc(=O)c2nccnc2[nH]1
ChEBI Ontology
Outgoing
2-aminopteridin-4(1
H
)-one (
CHEBI:37105
)
is a
pterin (
CHEBI:26374
)
2-aminopteridin-4(1
H
)-one (
CHEBI:37105
)
is tautomer of
2-aminopteridin-4(3
H
)-one (
CHEBI:44992
)
2-aminopteridin-4(1
H
)-one (
CHEBI:37105
)
is tautomer of
2-aminopteridin-4-ol (
CHEBI:18265
)
Incoming
2-aminopteridin-4(3
H
)-one (
CHEBI:44992
)
is tautomer of
2-aminopteridin-4(1
H
)-one (
CHEBI:37105
)
2-aminopteridin-4-ol (
CHEBI:18265
)
is tautomer of
2-aminopteridin-4(1
H
)-one (
CHEBI:37105
)
IUPAC Name
2-aminopteridin-4(1
H
)-one
Synonyms
Sources
2-amino-1
H
-pteridin-4-one
ChemIDplus
2-amino-4(1
H
)-pteridinone
ChemIDplus
Registry Numbers
Types
Sources
2236-60-4
CAS Registry Number
ChemIDplus
976851
Beilstein Registry Number
Beilstein
Last Modified
20 November 2006